SCHEMBL4303965

SCHEMBL4303965

CC(N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.46
BIRC2 Q13490 2/20 0.46
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ABCB1 P08183 1/20 0.40
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4309347 0.81 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1MEN1POLB
SCHEMBL11449076 0.81 XIAP (0.52) XIAPBIRC2TAAR1MEN1POLB
Hydrochloric Acid SCHEMBL8974695 0.80 XIAP (0.51) XIAPBIRC2TAAR1MEN1POLB
SCHEMBL1751092 0.79 ALDH1A1 (0.53) XIAPBIRC2ALDH1A1TAAR1RAB9A
SCHEMBL13879115 0.79 ALDH1A1 (0.53) XIAPBIRC2ALDH1A1TAAR1RAB9A
SCHEMBL9031190 0.74 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1MEN1POLB
SCHEMBL374388 0.74 NPC1 (0.48) ALDH1A1RAB9ANPC1MEN1POLB
SCHEMBL4306974 0.74 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1MEN1POLB
SCHEMBL28160059 0.73 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1MEN1POLB
SCHEMBL28291173 0.72 TAAR1 (0.64) XIAPALDH1A1TAAR1RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009127726-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed
WO-2009127726-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed